N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide

C12H14F3NO — CID 110477170

IUPACN-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
SMILESCC(C)(CNC=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-11(2,7-16-8-17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMEAGJNTZVYEKMA-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.73
Rot. Bonds4

About N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide

N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide (PubChem CID 110477170) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
PubChem CID110477170
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
SMILESCC(C)(CNC=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-11(2,7-16-8-17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMEAGJNTZVYEKMA-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Formetamide
CID 65614
Formamide, N-(2-phenylethyl)-
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Phenylbutyl formamide
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Formamide, N-((5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-
CID 202619
N-(1-phenylpentan-2-yl)formamide
CID 87974467
Formetorex, (R)-
CID 642315
2-Methylbenzylamine, TFA
CID 23383550
N-[2-(4-Fluorophenyl)-1,1-dimethylethyl]formamide
CID 14974987
1-(2-(3,3-Dimethylbutyl)-4-(trifluoromethyl)benzyl)urea
CID 44235257
2,2,2-trifluoro-N-[2-(4-methylphenyl)ethyl]acetamide
CID 85700803
2,2,2-trifluoro-N-(2-phenylbut-3-enyl)acetamide
CID 87709355
3-Phenylpropylformamide
CID 12147094

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
The IUPAC name of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide (CID 110477170) is N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide.
What is the SMILES notation for N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
The canonical SMILES for N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide is CC(C)(CNC=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
The InChIKey is MEAGJNTZVYEKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(2,7-16-8-17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide has a molecular weight of 245.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide is sourced from PubChem (CID 110477170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).